N-(4-morpholin-4-ylphenyl)-1-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]piperidine-4-carboxamide

C29H36N6O5 — CID 117092391

IUPACN-(4-morpholin-4-ylphenyl)-1-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCOc1cc(Nc2ccc(N3CCC(C(=O)Nc4ccc(N5CCOCC5)cc4)CC3)nn2)cc(OC)c1OC
InChIInChI=1S/C29H36N6O5/c1-37-24-18-22(19-25(38-2)28(24)39-3)30-26-8-9-27(33-32-26)35-12-10-20(11-13-35)29(36)31-21-4-6-23(7-5-21)34-14-16-40-17-15-34/h4-9,18-20H,10-17H2,1-3H3,(H,30,32)(H,31,36)
InChIKeyJYTZXWXVEGSEEM-UHFFFAOYSA-N
MW548.64 g/mol
LogP3.94
Rot. Bonds9

About N-(4-morpholin-4-ylphenyl)-1-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]piperidine-4-carboxamide

N-(4-morpholin-4-ylphenyl)-1-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 117092391) has the molecular formula C29H36N6O5 and a molecular weight of 548.64 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-1-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-1-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID117092391
Molecular FormulaC29H36N6O5
Molecular Weight548.64 g/mol
Exact Mass548.27
IUPAC NameN-(4-morpholin-4-ylphenyl)-1-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCOc1cc(Nc2ccc(N3CCC(C(=O)Nc4ccc(N5CCOCC5)cc4)CC3)nn2)cc(OC)c1OC
InChIInChI=1S/C29H36N6O5/c1-37-24-18-22(19-25(38-2)28(24)39-3)30-26-8-9-27(33-32-26)35-12-10-20(11-13-35)29(36)31-21-4-6-23(7-5-21)34-14-16-40-17-15-34/h4-9,18-20H,10-17H2,1-3H3,(H,30,32)(H,31,36)
InChIKeyJYTZXWXVEGSEEM-UHFFFAOYSA-N
XLogP3.94
TPSA110.31 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.64
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-(4-morpholin-4-ylphenyl)-1-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[6-(4-imidazol-1-ylanilino)pyridazin-3-yl]-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
CID 117092655
1-[6-(4-imidazol-1-ylanilino)pyridazin-3-yl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 117087130
N-(1,3-benzodioxol-5-yl)-1-[6-(4-morpholin-4-ylanilino)pyridazin-3-yl]piperidine-4-carboxamide
CID 117083577
N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]oxane-4-carboxamide
CID 113045448
N-[6-(4-piperidin-1-ylanilino)pyridazin-3-yl]oxane-4-carboxamide
CID 113049774
N-(4-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362335
N-[4-(3,4,5-trimethoxyanilino)phenyl]cyclobutanecarboxamide
CID 112989494
N-(3,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363123
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108992539
(3R)-1-(6-methoxypyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 97264345
N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114560
N-(4-acetylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide
CID 71708418

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-1-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-1-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]piperidine-4-carboxamide (CID 117092391) is N-(4-morpholin-4-ylphenyl)-1-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-1-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-1-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]piperidine-4-carboxamide is COc1cc(Nc2ccc(N3CCC(C(=O)Nc4ccc(N5CCOCC5)cc4)CC3)nn2)cc(OC)c1OC.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-1-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is JYTZXWXVEGSEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O5/c1-37-24-18-22(19-25(38-2)28(24)39-3)30-26-8-9-27(33-32-26)35-12-10-20(11-13-35)29(36)31-21-4-6-23(7-5-21)34-14-16-40-17-15-34/h4-9,18-20H,10-17H2,1-3H3,(H,30,32)(H,31,36).
What are the key properties of N-(4-morpholin-4-ylphenyl)-1-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]piperidine-4-carboxamide?
N-(4-morpholin-4-ylphenyl)-1-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 548.64 g/mol, XLogP of 3.94, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-1-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 117092391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).